Chemical Components in the PDB

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M7B : Summary

Code

M7B

One-letter code

X

Molecule name

7-O-phosphono-D-glycero-beta-D-manno-heptopyranose

Synonyms

7-O-phosphono-D-glycero-beta-D-manno-heptose
7-O-phosphono-D-glycero-D-manno-heptose
7-O-phosphono-D-glycero-manno-heptose

Systematic names

ProgramVersionName
ACDLabs 12.01 7-O-phosphono-D-glycero-beta-D-manno-heptopyranose
OpenEye OEToolkits 1.7.6 [(2R)-2-oxidanyl-2-[(2R,3S,4S,5S,6R)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]ethyl] dihydrogen phosphate

Formula

C7 H15 O10 P

Formal charge

0

Molecular weight

290.162 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(O)(O)OCC(O)C1OC(O)C(O)C(O)C1O
SMILES CACTVS 3.370 O[CH](CO[P](O)(O)=O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.7.6 C(C(C1C(C(C(C(O1)O)O)O)O)O)OP(=O)(O)O
Canonical SMILES CACTVS 3.370 O[C@H](CO[P](O)(O)=O)[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.7.6 C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O)OP(=O)(O)O

IUPAC InChI

InChI=1S/C7H15O10P/c8-2(1-16-18(13,14)15)6-4(10)3(9)5(11)7(12)17-6/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7-/m1/s1

IUPAC InChI key

SDADNVAZGVDAIM-ZUHYCWGWSA-N
M7B

wwPDB Information

Atom count

33 (18 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, beta linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2012-04-04

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned